LAMMPS (3 Aug 2023 - Development - patch_2Aug2023-790-g0fbe388cbd)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
# 2d circle of particles inside a box with LJ walls

variable        b index 0

variable        x index 50
variable        y index 20
variable        d index 20
variable        v index 5
variable        w index 2

units           lj
dimension       2
atom_style      atomic
boundary        f f p

lattice         hex 0.85
Lattice spacing in x,y,z = 1.1655347 2.0187654 1.1655347
region          box block 0 $x 0 $y -0.5 0.5
region          box block 0 50 0 $y -0.5 0.5
region          box block 0 50 0 20 -0.5 0.5
create_box      1 box
Created orthogonal box = (0 0 -0.58276737) to (58.276737 40.375308 0.58276737)
  2 by 1 by 1 MPI processor grid
region          circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
region          circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
region          circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
region          circle sphere 11 6.7735026918962581988 0.0 10
create_atoms    1 region circle
Created 361 atoms
  using lattice units in orthogonal box = (0 0 -0.58276737) to (58.276737 40.375308 0.58276737)
  create_atoms CPU = 0.001 seconds
mass            1 1.0

velocity        all create 0.5 87287 loop geom
velocity        all set $v $w 0 sum yes
velocity        all set 5 $w 0 sum yes
velocity        all set 5 2 0 sum yes

pair_style      lj/cut 2.5
pair_coeff      1 1 10.0 1.0 2.5

neighbor        0.3 bin
neigh_modify    delay 0 every 1 check yes

fix             1 all nve

fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5

comm_style      tiled
fix             10 all balance 50 0.9 rcb

#compute         1 all property/atom proc
#variable        p atom c_1%10
#dump            2 all custom 50 tmp.dump id v_p x y z

#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}

thermo_style    custom step temp epair press f_10[3] f_10
thermo          100
timestep        0.001

run             10000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2.8
  ghost atom cutoff = 2.8
  binsize = 1.4, bins = 42 29 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/2d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.061 | 3.066 | 3.071 Mbytes
   Step          Temp          E_pair         Press         f_10[3]          f_10     
         0   25.701528     -29.143179     -1.2407285      2              1.0193906    
       100   25.842512     -29.285247      0.26525204     1.0193906      1.0027701    
       200   26.307268     -29.748808      1.8402984      1.0193906      1.0027701    
       300   26.746717     -30.187064      3.3160966      1.0193906      1.0083102    
       400   26.877952     -30.317954      5.3251792      1.0304709      1.0027701    
       500   26.266471     -29.708192      7.9166641      1.0193906      1.0027701    
       600   26.005495     -29.448014      9.4696736      1.0193906      1.0027701    
       700   26.321835     -29.763442      8.7529756      1.0304709      1.0027701    
       800   26.677822     -30.118375      4.840886       1.0193906      1.0027701    
       900   26.708823     -30.149264      2.8898542      1.0304709      1.0083102    
      1000   26.373337     -29.814704      1.6422658      1.0193906      1.0027701    
      1100   25.893585     -29.335362      0.97146057     1.0304709      1.0027701    
      1200   25.710916     -29.147328      0.80754847     1.0193906      1.0027701    
      1300   25.76291      -29.201881      0.88170364     1.0304709      1.0027701    
      1400   26.080337     -29.52159       1.2169926      1.0304709      1.0083102    
      1500   26.473221     -29.914282      2.3873969      1.0304709      1.0027701    
      1600   26.738055     -30.178413      4.1057361      1.0304709      1.0027701    
      1700   26.589182     -30.030057      6.6930875      1.0304709      1.0083102    
      1800   26.122828     -29.565007      8.897304       1.0304709      1.0027701    
      1900   26.16025      -29.602425      8.4722268      1.0304709      1.0083102    
      2000   26.510754     -29.951778      6.6913672      1.0304709      1.0027701    
      2100   26.732291     -30.172707      4.1328654      1.0193906      1.0083102    
      2200   26.479423     -29.92049       2.3106996      1.0193906      1.0027701    
      2300   26.058035     -29.500247      1.2582222      1.0193906      1.0027701    
      2400   25.732051     -29.175166      0.54231521     1.0304709      1.0083102    
      2500   25.733864     -29.176523      0.66714018     1.0193906      1.0083102    
      2600   25.990734     -29.433139      1.2035223      1.0304709      1.0027701    
      2700   26.383788     -29.82468       2.162696       1.0193906      1.0027701    
      2800   26.679604     -30.120134      3.6992506      1.0193906      1.0083102    
      2900   26.600714     -30.041505      5.7237864      1.0304709      1.0027701    
      3000   26.250766     -29.692594      7.9725502      1.0304709      1.0027701    
      3100   26.121363     -29.563584      8.9373309      1.0193906      1.0027701    
      3200   26.477192     -29.918373      7.1092175      1.0193906      1.0027701    
      3300   26.689536     -30.129977      4.5776139      1.0304709      1.0027701    
      3400   26.586629     -30.026764      2.7417726      1.0304709      1.0027701    
      3500   26.220686     -29.659572      1.6498578      1.0304709      1.0027701    
      3600   25.866231     -29.300814      1.1210814      1.0193906      1.0027701    
      3700   25.659205     -29.142497      0.88115023     1.0193906      1.0027701    
      3800   25.68947      -29.145676      1.4621172      1.0304709      1.0027701    
      3900   25.842813     -29.305171      2.6326543      1.0304709      1.0027701    
      4000   25.919278     -29.470226      4.5283838      1.0304709      1.0027701    
      4100   24.903798     -28.514051      8.027658       1.0304709      1.0027701    
      4200   23.423542     -27.070178      11.619766      1.0304709      1.0083102    
      4300   22.043492     -25.928725      13.445594      1.0304709      1.0083102    
      4400   22.154748     -25.970203      12.572064      1.0304709      1.0027701    
      4500   23.469652     -27.084691      9.6953414      1.0249307      1.0083102    
      4600   23.645224     -27.247805      6.5087935      1.0249307      1.0027701    
      4700   23.449403     -26.921826      3.8388213      1.0249307      1.0027701    
      4800   22.978713     -26.375077      2.2105686      1.0249307      1.0027701    
      4900   22.547461     -25.880668      1.6287577      1.0138504      1.0083102    
      5000   22.34432      -25.632296      1.3146711      1.0304709      1.0083102    
      5100   21.859416     -25.132381      1.4466766      1.0138504      1.0083102    
      5200   21.854255     -25.131546      1.6303448      1.0138504      1.0027701    
      5300   21.425171     -24.876722      2.6133634      1.0027701      1.0027701    
      5400   19.687643     -23.234478      5.4446821      1.0138504      1.0027701    
      5500   18.102224     -21.98985       7.8007647      1.0138504      1.0027701    
      5600   17.402396     -21.218157      8.8854058      1.0138504      1.0027701    
      5700   17.49995      -21.430274      8.8193841      1.0083102      1.0083102    
      5800   18.01284      -21.490424      8.2097589      1.0083102      1.0083102    
      5900   17.565819     -21.169657      7.3645475      1.0027701      1.0027701    
      6000   17.002407     -20.455432      8.0176011      1.0083102      1.0083102    
      6100   17.527412     -20.899213      6.0280989      1.0027701      1.0027701    
      6200   17.068329     -20.522823      5.4665249      1.0027701      1.0027701    
      6300   16.424762     -19.676043      5.1320371      1.0027701      1.0027701    
      6400   16.186199     -19.427212      4.3019107      1.0027701      1.0027701    
      6500   15.691963     -18.890331      3.8910044      1.0027701      1.0027701    
      6600   15.525701     -18.788954      3.5106407      1.0083102      1.0083102    
      6700   15.641437     -18.744896      2.9139189      1.0027701      1.0083102    
      6800   15.656899     -18.774587      2.1876061      1.0138504      1.0027701    
      6900   15.094185     -18.163325      2.3500048      1.0138504      1.0027701    
      7000   14.991269     -18.044483      2.5047107      1.0249307      1.0027701    
      7100   14.727757     -17.740443      2.0066013      1.0138504      1.0027701    
      7200   14.32011      -17.413392      1.5370313      1.0083102      1.0027701    
      7300   14.153835     -17.154266      2.2823938      1.0138504      1.0027701    
      7400   13.644555     -16.662895      2.1522299      1.0083102      1.0083102    
      7500   14.14831      -17.129791      1.5888858      1.0138504      1.0027701    
      7600   13.625238     -16.591406      1.4121129      1.0138504      1.0027701    
      7700   13.471137     -16.441146      1.3192621      1.0193906      1.0083102    
      7800   13.262113     -16.221083      1.516185       1.0083102      1.0027701    
      7900   13.146175     -16.128839      1.6154309      1.0193906      1.0027701    
      8000   13.030735     -15.972746      1.5756469      1.0083102      1.0027701    
      8100   12.742337     -15.790849      1.5660957      1.0138504      1.0027701    
      8200   13.111618     -16.038849      1.4662027      1.0027701      1.0083102    
      8300   12.847359     -15.82086       1.9249118      1.0138504      1.0027701    
      8400   13.136509     -16.066829      1.6715045      1.0138504      1.0027701    
      8500   12.929796     -15.955279      1.1388437      1.0083102      1.0027701    
      8600   13.000263     -15.983556      1.5854841      1.0083102      1.0027701    
      8700   12.524346     -15.443794      1.8406232      1.0083102      1.0027701    
      8800   12.718004     -15.691429      1.4077935      1.0193906      1.0027701    
      8900   12.98278      -15.92931       1.5950893      1.0083102      1.0027701    
      9000   12.444974     -15.506365      1.6085567      1.0249307      1.0027701    
      9100   12.5341       -15.471682      1.6458191      1.0027701      1.0027701    
      9200   12.411742     -15.374927      1.7423964      1.0027701      1.0027701    
      9300   12.613        -15.543866      1.6002664      1.0027701      1.0027701    
      9400   12.315079     -15.231839      1.7207652      1.0138504      1.0027701    
      9500   12.49493      -15.406632      1.5330057      1.0138504      1.0027701    
      9600   12.332602     -15.240282      1.2401605      1.0027701      1.0027701    
      9700   11.894396     -14.794216      1.4072165      1.0083102      1.0027701    
      9800   12.140847     -15.113816      1.6174151      1.0027701      1.0083102    
      9900   12.326936     -15.241095      1.2077951      1.0083102      1.0027701    
     10000   12.212835     -15.106252      1.2704949      1.0083102      1.0027701    
Loop time of 0.177325 on 2 procs for 10000 steps with 361 atoms

Performance: 4872405.392 tau/day, 56393.581 timesteps/s, 20.358 Matom-step/s
96.7% CPU use with 2 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.082172   | 0.083041   | 0.08391    |   0.3 | 46.83
Neigh   | 0.025221   | 0.025625   | 0.026029   |   0.3 | 14.45
Comm    | 0.022461   | 0.026564   | 0.030666   |   2.5 | 14.98
Output  | 0.00084416 | 0.00098787 | 0.0011316  |   0.0 |  0.56
Modify  | 0.024707   | 0.025096   | 0.025485   |   0.2 | 14.15
Other   |            | 0.01601    |            |       |  9.03

Nlocal:          180.5 ave         181 max         180 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost:             38 ave          44 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs:         1018.5 ave        1032 max        1005 min
Histogram: 1 0 0 0 0 0 0 0 0 1

Total # of neighbors = 2037
Ave neighs/atom = 5.6426593
Neighbor list builds = 987
Dangerous builds = 0
Total wall time: 0:00:00
